- InChI
- InChI=1S/C8H15NS/c1-3-4-5-8-9-6-7(2)10-8/h6-8H,3-5H2,1-2H3/t7-,8-/m0/s1
- InChI Key
- FSRWQOGXZZHFMJ-YUMQZZPRSA-N
- Formula
- C8H15NS
- SMILES
- CCCCC1N=CC(C)S1
- Molecular Weight1
- 157.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 231.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.66 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.709 | Crippen Calculated Property | |
| McVol | 134.750 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | 1239.00 | NIST | |
| Tboil | 493.74 | K | Joback Calculated Property |
| Tc | 714.46 | K | Joback Calculated Property |
| Tfus | 342.33 | K | Joback Calculated Property |
| Vc | 0.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.40; 398.55] | J/mol×K | [493.74; 714.46] | 
|
| Cp,gas | 307.40 | J/mol×K | 493.74 | Joback Calculated Property |
| Cp,gas | 324.84 | J/mol×K | 530.53 | Joback Calculated Property |
| Cp,gas | 341.36 | J/mol×K | 567.31 | Joback Calculated Property |
| Cp,gas | 356.97 | J/mol×K | 604.10 | Joback Calculated Property |
| Cp,gas | 371.70 | J/mol×K | 640.89 | Joback Calculated Property |
| Cp,gas | 385.55 | J/mol×K | 677.68 | Joback Calculated Property |
| Cp,gas | 398.55 | J/mol×K | 714.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-butyl-5-methyl-3-thiazoline, trans.
Sources
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